8F3W

Crystal structure of Penicillin Binding Protein 5 (PBP5) PAPAPAP variant penicillin bound form from Enterococcus faecium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-26
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 63 2 2
Unit cell lengths	192.948, 192.948, 155.949
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.330 - 3.000
R-factor	0.1971
Rwork	0.196
R-free	0.22270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6mka
RMSD bond length	0.002
RMSD bond angle	0.438
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.1-4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.990	3.140
High resolution limit [Å]	2.990	2.990
Rmerge	0.180	2.352
Rmeas	0.185	2.409
Rpim	0.039	0.514
Total number of observations	766788	97313
Number of reflections	34932	4472
<I/σ(I)>	16.4	1.9
Completeness [%]	99.6
Redundancy	22	21.8
CC(1/2)	0.999	0.617

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	0.1 M HEPES pH 7.0, 2.4 M ammonium sulfate